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IFLAB-ZINC05268437

 MMsINC code: MMs02089097
Type: Neutral
Formula: C14H12FNO3S
SMILES:   s1ccc(C(OC)=O)c1NC(=O)Cc1ccc(F)cc1
InChI:   InChI=1/C14H12FNO3S/c1-19-14(18)11-6-7-20-13(11)16-12(17)8-9-2-4-10(15)5-3-9/h2-7H,8H2,1H3,(H,16,17)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.6242 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.318 g/mol  logS: -4.05806  SlogP: 2.85497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0544002  Sterimol/B1: 2.04329  Sterimol/B2: 3.61711  Sterimol/B3: 3.62242
  Sterimol/B4: 7.38423  Sterimol/L: 16.63 
 
 Surface and Volume Properties
  Accessible surface: 513.332  Positive charged surface: 294.066  Negative charged surface: 219.266  Volume: 256
  Hydrophobic surface: 450.316  Hydrophilic surface: 63.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.